N'-(3-aminopropyl)butane-1,4-diamine

C7H19N3 — CID 1102

IUPACN'-(3-aminopropyl)butane-1,4-diamine
SMILESNCCCCNCCCN
InChIInChI=1S/C7H19N3/c8-4-1-2-6-10-7-3-5-9/h10H,1-9H2
InChIKeyATHGHQPFGPMSJY-UHFFFAOYSA-N
MW145.25 g/mol
LogP-0.34
Rot. Bonds7

About N'-(3-aminopropyl)butane-1,4-diamine

N'-(3-aminopropyl)butane-1,4-diamine (PubChem CID 1102) has the molecular formula C7H19N3 and a molecular weight of 145.25 g/mol. Its IUPAC name is N'-(3-aminopropyl)butane-1,4-diamine.

Molecular Properties

Compound NameN'-(3-aminopropyl)butane-1,4-diamine
PubChem CID1102
Molecular FormulaC7H19N3
Molecular Weight145.25 g/mol
Exact Mass145.16
IUPAC NameN'-(3-aminopropyl)butane-1,4-diamine
SMILESNCCCCNCCCN
InChIInChI=1S/C7H19N3/c8-4-1-2-6-10-7-3-5-9/h10H,1-9H2
InChIKeyATHGHQPFGPMSJY-UHFFFAOYSA-N
XLogP-0.34
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.25
LogP ≤ 5-0.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(3-aminopropyl)butane-1,4-diamine?
The IUPAC name of N'-(3-aminopropyl)butane-1,4-diamine (CID 1102) is N'-(3-aminopropyl)butane-1,4-diamine.
What is the SMILES notation for N'-(3-aminopropyl)butane-1,4-diamine?
The canonical SMILES for N'-(3-aminopropyl)butane-1,4-diamine is NCCCCNCCCN.
What is the InChIKey of N'-(3-aminopropyl)butane-1,4-diamine?
The InChIKey is ATHGHQPFGPMSJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H19N3/c8-4-1-2-6-10-7-3-5-9/h10H,1-9H2.
What are the key properties of N'-(3-aminopropyl)butane-1,4-diamine?
N'-(3-aminopropyl)butane-1,4-diamine has a molecular weight of 145.25 g/mol, XLogP of -0.34, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-aminopropyl)butane-1,4-diamine is sourced from PubChem (CID 1102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).